(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

C15H21N3O3S — CID 8748577

IUPAC(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3S/c1-13(15(16)19)17-8-10-18(11-9-17)22(20,21)12-7-14-5-3-2-4-6-14/h2-7,12-13H,8-11H2,1H3,(H2,16,19)/b12-7+/t13-/m0/s1
InChIKeyUXRXKHLILAJGGR-WHGQRRHOSA-N
MW323.42 g/mol
LogP0.48
Rot. Bonds5

About (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (PubChem CID 8748577) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
PubChem CID8748577
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H21N3O3S/c1-13(15(16)19)17-8-10-18(11-9-17)22(20,21)12-7-14-5-3-2-4-6-14/h2-7,12-13H,8-11H2,1H3,(H2,16,19)/b12-7+/t13-/m0/s1
InChIKeyUXRXKHLILAJGGR-WHGQRRHOSA-N
XLogP0.48
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 55430579
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748651
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689455
1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 77104171
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide
CID 9493426
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
(2S)-N-(2-chloro-5-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 2120035

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide (CID 8748577) is (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is C[C@@H](C(N)=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
The InChIKey is UXRXKHLILAJGGR-WHGQRRHOSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-13(15(16)19)17-8-10-18(11-9-17)22(20,21)12-7-14-5-3-2-4-6-14/h2-7,12-13H,8-11H2,1H3,(H2,16,19)/b12-7+/t13-/m0/s1.
What are the key properties of (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide?
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide has a molecular weight of 323.42 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8748577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).